SCHEMBL7203322

SCHEMBL7203322

CC(C)(C)OC(=O)CCN(CCN(CCN(CCC(=O)O)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ALOX15 P16050 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EYA2 O00167 1/20 0.34
APP P05067 1/20 0.34
ACE P12821 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7762673 0.96 TDP1 (0.40) TDP1TSHRKDM4ELMNACHRM2
SCHEMBL6859731 0.93 TDP1 (0.47) TDP1TSHRKDM4ELMNACHRM2
SCHEMBL17177620 0.87 TSHR (0.32) TDP1TSHRKDM4ELMNACHRM2
SCHEMBL18362360 0.86 KMT2A (0.47) TDP1TSHRKDM4ELMNAMEN1
SCHEMBL438113 0.84 TDP1 (0.58) TDP1TSHRKDM4ELMNACHRM2
SCHEMBL4621864 0.84 TDP1 (0.58) TDP1TSHRKDM4ELMNACHRM2
SCHEMBL992084 0.84 TDP1 (0.58) TDP1TSHRKDM4ELMNACHRM2
SCHEMBL19458 0.83 TDP1 (0.42) TDP1TSHRKDM4ELMNACHRM2
SCHEMBL18429454 0.83 GAA (0.44) TDP1KDM4EMEN1KMT2ACA12
SCHEMBL3661157 0.83 STING1 (0.31) NR1D1NR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6607710-B1 Provide a bisphosphonic acid derivative and said bisphosphonic acid derivative being labeled with a radioactive nuclide, which has properties of rapid accumulation to the bone and rapid urinary excretion. NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-08-19 US disclosed